DocumentCode :
2432241
Title :
Calculation of transport properties for SiO/sub 2/
Author :
Gnani, E. ; Reggiani, S. ; Colle, R. ; Rudan, M.
Author_Institution :
Dipt. di Elettronica Inf. e Sistemistica, Bologna Univ., Italy
fYear :
2000
fDate :
22-25 May 2000
Firstpage :
106
Lastpage :
107
Abstract :
Among insulators, silicon dioxide plays a major role in the solid-state technology. Especially in recent years, experimental and theoretical investigations have focused on microscopic properties of this material related with reliability problems. In this work, ab initio calculations of the full-band structure of SiO/sub 2/ have been worked out by means of two different techniques: Hartree-Fock (HF) and Density-Functional Theory (DFT). All the analysed systems are polymorphs of silica, characterised by an electronic density similar to that of amorphous SiO/sub 2/. Specifically, the /spl alpha/- and /spl beta/-quartz, and the /spl alpha/- and /spl beta/-cristobalite are addressed. As the aim is that of applying the results to the investigation of transport properties for a bulk material, accurate calculations of both valence and conduction band structures, and corresponding densities of states (DOS), have been carried out in this work.
Keywords :
HF calculations; ab initio calculations; band structure; density functional theory; electronic density of states; silicon compounds; /spl alpha/-cristobalite; /spl alpha/-quartz; /spl beta/-cristobalite; /spl beta/-quartz; Hartree-Fock theory; SiO/sub 2/; ab initio calculations; band structure; density functional theory; density of states; electronic density; insulator; silica polymorph; silicon dioxide; transport properties; Amorphous materials; Conducting materials; Hafnium; Insulation; Materials reliability; Microscopy; Reliability theory; Silicon compounds; Silicon on insulator technology; Solid state circuits;
fLanguage :
English
Publisher :
ieee
Conference_Titel :
Computational Electronics, 2000. Book of Abstracts. IWCE Glasgow 2000. 7th International Workshop on
Conference_Location :
Glasgow, UK
Print_ISBN :
0-85261-704-6
Type :
conf
DOI :
10.1109/IWCE.2000.869947
Filename :
869947
Link To Document :
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